Summary

IMPPAT Phytochemical identifier: IMPHY003846

Phytochemical name: Mahanimbinol

Synonymous chemical names:
mahanimbilol

External chemical identifiers:
CID:5353739, ChEMBL:CHEMBL497101, ChEBI:174523, ZINC:ZINC000003873194

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Chemical structure information

SMILES:
C/C(=CCc1c(O)c(C)cc2c1[nH]c1c2cccc1)/CCC=C(C)C

InChI:
InChI=1S/C23H27NO/c1-15(2)8-7-9-16(3)12-13-19-22-20(14-17(4)23(19)25)18-10-5-6-11-21(18)24-22/h5-6,8,10-12,14,24-25H,7,9,13H2,1-4H3/b16-12+

InChIKey:
JSSIAXXILAGJKE-FOWTUZBSSA-N

DeepSMILES:
C/C=CCccO)cC)ccc6[nH]cc5cccc6)))))))))))))))/CCC=CC)C

Functional groups:
C/C=C(/C)C, CC=C(C)C, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 1.746

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Chemical structure download